These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

162 related articles for article (PubMed ID: 36320318)

  • 1. In silico analyses of betulin: DFT studies, corrosion inhibition properties, ADMET prediction, and molecular docking with a series of SARS-CoV-2 and monkeypox proteins.
    Burkhanova TM; Krysantieva AI; Babashkina MG; Konyaeva IA; Monina LN; Goncharenko AN; Safin DA
    Struct Chem; 2022 Oct; ():1-12. PubMed ID: 36320318
    [TBL] [Abstract][Full Text] [Related]  

  • 2. A novel coumarin-triazole-thiophene hybrid: synthesis, characterization, ADMET prediction, molecular docking and molecular dynamics studies with a series of SARS-CoV-2 proteins.
    Omar RA; Koparir P; Sarac K; Koparir M; Safin DA
    J Chem Sci (Bangalore); 2023; 135(1):6. PubMed ID: 36686402
    [TBL] [Abstract][Full Text] [Related]  

  • 3. A Novel Ambroxol-Derived Tetrahydroquinazoline with a Potency against SARS-CoV-2 Proteins.
    Krysantieva AI; Voronina JK; Safin DA
    Int J Mol Sci; 2023 Feb; 24(5):. PubMed ID: 36902093
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Molecular dynamics, molecular docking, DFT, and ADMET investigations of the Co(II), Cu(II), and Zn(II) chelating on the antioxidant activity and SARS-CoV-2 main protease inhibition of quercetin.
    Anouar EH
    J Biomol Struct Dyn; 2023 Dec; ():1-14. PubMed ID: 38116766
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Synthesis, molecular docking, and in silico ADMET studies of 4-benzyl-1-(2,4,6-trimethyl-benzyl)-piperidine: Potential Inhibitor of SARS-CoV2.
    Nandini Asha R; Ravindran Durai Nayagam B; Bhuvanesh N
    Bioorg Chem; 2021 Jul; 112():104967. PubMed ID: 33975232
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Methyl β-D-galactopyranoside esters as potential inhibitors for SARS-CoV-2 protease enzyme: synthesis, antimicrobial, PASS, molecular docking, molecular dynamics simulations and quantum computations.
    Amin MR; Yasmin F; Dey S; Mahmud S; Saleh MA; Emran TB; Hasan I; Rajia S; Ogawa Y; Fujii Y; Yamada M; Ozeki Y; Kawsar SMA
    Glycoconj J; 2022 Apr; 39(2):261-290. PubMed ID: 35037163
    [TBL] [Abstract][Full Text] [Related]  

  • 7.
    Srivastava R; Panda SK; Sen Gupta PS; Chaudhary A; Naaz F; Yadav AK; Ram NK; Rana MK; Singh RK; Srivastava R
    J Biomol Struct Dyn; 2023 Dec; ():1-18. PubMed ID: 38147408
    [TBL] [Abstract][Full Text] [Related]  

  • 8. SARS-CoV-2 proteases Mpro and PLpro: Design of inhibitors with predicted high potency and low mammalian toxicity using artificial neural networks, ligand-protein docking, molecular dynamics simulations, and ADMET calculations.
    Tumskiy RS; Tumskaia AV; Klochkova IN; Richardson RJ
    Comput Biol Med; 2023 Feb; 153():106449. PubMed ID: 36586228
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Studying the Biological Activity of Trans-[Cu (quin)2(EtOH)2] as Potent Antimicrobial Cu(II) Complex through Computational Investigations: DFT, ADMET and Molecular Docking.
    Hussein RK; El-Khayatt AM; Duaij OKA; Alkaoud AM
    Front Biosci (Landmark Ed); 2023 Apr; 28(4):84. PubMed ID: 37114549
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Synthesis,
    Bouzina A; Berredjem M; Bouacida S; Bachari K; Marminon C; Borgne ML; Bouaziz Z; Bouone YO
    J Mol Struct; 2022 Jun; 1257():132579. PubMed ID: 35153333
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Synthesis, characterization, computational analyses, in silico ADMET studies, and inhibitory action against SARS-CoV-2 main protease (Mpro) of a Schiff base.
    Şahin S; Dege N
    Turk J Chem; 2022; 46(5):1548-1564. PubMed ID: 37529731
    [TBL] [Abstract][Full Text] [Related]  

  • 12. A novel imidazole-based azo molecule: synthesis, characterization, quantum chemical calculations, molecular docking, molecular dynamics simulations and ADMET properties.
    Karabacak Atay Ç; Dilek Ö; Tilki T; Dede B
    J Mol Model; 2023 Jul; 29(8):226. PubMed ID: 37405575
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Computational Evidences of Phytochemical Mediated Disruption of PLpro Driven Replication of SARS-CoV-2: A Therapeutic Approach against COVID-19.
    Balkrishna A; Mittal R; Arya V
    Curr Pharm Biotechnol; 2021; 22(10):1350-1359. PubMed ID: 33176643
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Phytocompounds as potential inhibitors of SARS-CoV-2 Mpro and PLpro through computational studies.
    Rudrapal M; Celik I; Chinnam S; Azam Ansari M; Khan J; Alghamdi S; Almehmadi M; Zothantluanga JH; Khairnar SJ
    Saudi J Biol Sci; 2022 May; 29(5):3456-3465. PubMed ID: 35233172
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Identification of potent food constituents as SARS-CoV-2 papain-like protease modulators through advanced pharmacoinformatics approaches.
    Bhowmick S; Saha A; AlFaris NA; ALTamimi JZ; ALOthman ZA; Aldayel TS; Wabaidur SM; Islam MA
    J Mol Graph Model; 2022 Mar; 111():108113. PubMed ID: 34959151
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Discovery of Potential SARS-CoV-2 Papain-like Protease Natural Inhibitors Employing a Multi-Phase In Silico Approach.
    Elkaeed EB; Metwaly AM; Alesawy MS; Saleh AM; Alsfouk AA; Eissa IH
    Life (Basel); 2022 Sep; 12(9):. PubMed ID: 36143445
    [TBL] [Abstract][Full Text] [Related]  

  • 17. In search of RdRp and Mpro inhibitors against SARS CoV-2: Molecular docking, molecular dynamic simulations and ADMET analysis.
    Gajjar ND; Dhameliya TM; Shah GB
    J Mol Struct; 2021 Sep; 1239():130488. PubMed ID: 33903778
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Identification of structural scaffold from interbioscreen (IBS) database to inhibit 3CLpro, PLpro, and RdRp of SARS-CoV-2 using molecular docking and dynamic simulation studies.
    Patil VR; Dhote AM; Patil R; Amnerkar ND; Lokwani DK; Ugale VG; Charbe NB; Firke SD; Chaudhari P; Shah SK; Mehta CH; Nayak UY; Khadse SC
    J Biomol Struct Dyn; 2023; 41(22):13168-13179. PubMed ID: 36757134
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Synthesis, spectroscopic, and computational studies on molecular charge-transfer complex of 2-((2-hydroxybenzylidene) amino)-2-(hydroxymethyl) propane-1, 3-diol with chloranilic acid: Potential antiviral activity simulation of CT-complex against SARS-CoV-2.
    Khalil TE; Elbadawy HA; Attia AA; El-Sayed DS
    J Mol Struct; 2022 Mar; 1251():132010. PubMed ID: 34866653
    [TBL] [Abstract][Full Text] [Related]  

  • 20. A single-molecule with multiple investigations: Synthesis, characterization, computational methods, inhibitory activity against Alzheimer's disease, toxicity, and ADME studies.
    Şahin S
    Comput Biol Med; 2022 Jul; 146():105514. PubMed ID: 35462270
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.